Química Física
Département
![Foto de Saulo A.](/img/nophoto.png)
Saulo A.
Vázquez Rodríguez
Publications dans lesquelles il/elle collabore avec Saulo A. Vázquez Rodríguez (19)
2003
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Product energy distributions from ethylene photodissociation at 193 nm: A DFT direct classical trajectory study
Chemical Physics Letters, Vol. 369, Núm. 1-2, pp. 1-7
2002
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A theoretical study of the dynamics of the S + c-C3H reaction
Journal of Physical Chemistry A, Vol. 106, Núm. 37, pp. 8811-8819
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Dissociation of ethylene and several deuterated derivatives at 193 and 157 nm by direct classical trajectories
Chemical Physics Letters, Vol. 353, Núm. 5-6, pp. 418-425
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The role of aromaticity in the planarity of lumiflavin
Journal of Organic Chemistry, Vol. 67, Núm. 18, pp. 6347-6352
2001
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Product energy distributions for the four-center HF elimination from 1,1-difluoroethylene. a direct dynamics study
Chemical Physics Letters, Vol. 348, Núm. 1-2, pp. 81-88
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Unimolecular dissociation of the propionyl radical: a classical dynamics study
Journal of Chemical Physics, Vol. 114, Núm. 8, pp. 3546-3553
2000
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Direct dynamics simulation of the methanethiol cation decomposition
Chemical Physics Letters, Vol. 324, Núm. 1-3, pp. 88-94
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Dynamics of the cis-trans isomerization and Cl-O dissociation of chlorine nitrite. Classical trajectory and statistical calculations
Physical Chemistry Chemical Physics, Vol. 2, Núm. 23, pp. 5393-5399
1999
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Nonstatistical effects in the unimolecular dissociation of the acetyl radical
Journal of Chemical Physics, Vol. 110, Núm. 23, pp. 11323-11334
1998
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Classical trajectory study of the Cis-trans isomerization and F-O dissociation of FONO
Journal of Physical Chemistry A, Vol. 102, Núm. 45, pp. 8708-8715
1997
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Conformational analysis of model compounds of vitamin D by theoretical calculations
Journal of Computational Chemistry, Vol. 18, Núm. 13, pp. 1647-1655
1990
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Ab initio gradient conformational analysis of polyazocyclohexanes:1,4-diazocyclohexane, 1,3-diazocyclohexane and 1,3,5-triazocyclohexane
Journal of Molecular Structure: THEOCHEM, Vol. 205, Núm. C, pp. 223-234
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An ab initio gradient study of ethylhydrazine
Journal of Molecular Structure: THEOCHEM, Vol. 206, Núm. 1-2, pp. 49-66
1989
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AB initio gradient optimized molecular geometry and conformational analysis of 1,2-propanediol at the 4-21G level
Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 323-342
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Ab initio-gradient optimized molecular geometry and conformational analysis of 2-methoxyethanol at the 4-21G level
Journal of Molecular Structure: THEOCHEM, Vol. 188, Núm. 1-2, pp. 95-104
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An ab initio gradient study of trimethylhydrazine
Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 311-322
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Study of the geometric trends and rotational constants of 1-fluoro-2-propanol and 2-fluoropropanol by Ab Initio calculations
Tetrahedron Computer Methodology, Vol. 2, Núm. 2, pp. 85-92
1988
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Ab initio-gradient optimized molecular geometry and conformational analysis of 1,3-propanediol at the 4-21G level
Journal of Molecular Structure: THEOCHEM, Vol. 181, Núm. 1-2, pp. 149-167
1986
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Complete Structural Analysis of Cyclic Polyhalogenated Monoterpenes. A Force Field 2D NMR Study
Journal of Organic Chemistry, Vol. 51, Núm. 25, pp. 4970-4973